(Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)

C21H41NO2U — CID 145491424

IUPAC(Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)
SMILESC=CCN(CC=C)C(=O)C/C=C\CC.CC.CC.C[C-]=O.[CH2-]CC.[U+2]
InChIInChI=1S/C12H19NO.C3H7.C2H3O.2C2H6.U/c1-4-7-8-9-12(14)13(10-5-2)11-6-3;1-3-2;1-2-3;2*1-2;/h5-8H,2-4,9-11H2,1H3;1,3H2,2H3;1H3;2*1-2H3;/q;2*-1;;;+2/b8-7-;;;;;
InChIKeyPTFOPDUKQSXQHS-OLTFPPTJSA-N
MW577.59 g/mol
LogP5.94
Rot. Bonds7

About (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)

(Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+) (PubChem CID 145491424) has the molecular formula C21H41NO2U and a molecular weight of 577.59 g/mol. Its IUPAC name is (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+).

Molecular Properties

Compound Name(Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)
PubChem CID145491424
Molecular FormulaC21H41NO2U
Molecular Weight577.59 g/mol
Exact Mass577.36
IUPAC Name(Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)
SMILESC=CCN(CC=C)C(=O)C/C=C\CC.CC.CC.C[C-]=O.[CH2-]CC.[U+2]
InChIInChI=1S/C12H19NO.C3H7.C2H3O.2C2H6.U/c1-4-7-8-9-12(14)13(10-5-2)11-6-3;1-3-2;1-2-3;2*1-2;/h5-8H,2-4,9-11H2,1H3;1,3H2,2H3;1H3;2*1-2H3;/q;2*-1;;;+2/b8-7-;;;;;
InChIKeyPTFOPDUKQSXQHS-OLTFPPTJSA-N
XLogP5.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.59
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)?
The IUPAC name of (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+) (CID 145491424) is (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+).
What is the SMILES notation for (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)?
The canonical SMILES for (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+) is C=CCN(CC=C)C(=O)C/C=C\CC.CC.CC.C[C-]=O.[CH2-]CC.[U+2].
What is the InChIKey of (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)?
The InChIKey is PTFOPDUKQSXQHS-OLTFPPTJSA-N. The full InChI is InChI=1S/C12H19NO.C3H7.C2H3O.2C2H6.U/c1-4-7-8-9-12(14)13(10-5-2)11-6-3;1-3-2;1-2-3;2*1-2;/h5-8H,2-4,9-11H2,1H3;1,3H2,2H3;1H3;2*1-2H3;/q;2*-1;;;+2/b8-7-;;;;;.
What are the key properties of (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)?
(Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+) has a molecular weight of 577.59 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+) is sourced from PubChem (CID 145491424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).